Unexpected behaviour of equivsplit function
Unexpected behaviour of equivsplit function
The function equivsplit throws an error when nuclear spin I=0 is used. Of course, the calculation of the splitting pattern in this case is unreasonable, but it should be better return expected [1] value instead of error.
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- EasySpin Creator
- Posts: 1127
- Joined: Mon Jul 21, 2014 10:11 pm
- Location: University of Washington
Re: Unexpected behaviour of equivsplit function
Good point. This will be fixed in the next version.